3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one

C18H29NO3 — CID 91264604

IUPAC3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one
SMILESC=CC=C(C=C)C(C)N1CCC(CCCO)(C(C)C)OC1=O
InChIInChI=1S/C18H29NO3/c1-6-9-16(7-2)15(5)19-12-11-18(14(3)4,10-8-13-20)22-17(19)21/h6-7,9,14-15,20H,1-2,8,10-13H2,3-5H3
InChIKeyCREQSYGGZDGTQR-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.68
Rot. Bonds8

About 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one

3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 91264604) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one
PubChem CID91264604
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one
SMILESC=CC=C(C=C)C(C)N1CCC(CCCO)(C(C)C)OC1=O
InChIInChI=1S/C18H29NO3/c1-6-9-16(7-2)15(5)19-12-11-18(14(3)4,10-8-13-20)22-17(19)21/h6-7,9,14-15,20H,1-2,8,10-13H2,3-5H3
InChIKeyCREQSYGGZDGTQR-UHFFFAOYSA-N
XLogP3.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-4-[(1S)-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl]-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129065713
tert-butyl (3S,4R)-4-[(3Z,5Z)-5,6-difluorohepta-1,3,5-trien-2-yl]-3-(hydroxymethyl)piperidine-1-carboxylate
CID 146633424
2-Cyclohex-3-en-1-ylpropan-2-yl 4-hydroxypiperidine-1-carboxylate
CID 123207260
tert-butyl (3S)-4-[(1S)-4-chloro-6-methylcyclohexa-2,4-dien-1-yl]-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129065706
tert-butyl (3R,4S)-3-(hydroxymethyl)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidine-1-carboxylate
CID 130271499
tert-butyl (3S)-3-(hydroxymethyl)-6-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline-2-carboxylate
CID 156301224
6-(3-hydroxypropyl)-3-[(1S)-1-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]-6-propan-2-yl-1,3-oxazinan-2-one
CID 164043474
tert-butyl (2S,4S)-4-hydroxy-2-[(3E)-2-methylhexa-1,3,5-trien-3-yl]piperidine-1-carboxylate
CID 164586113
tert-butyl 1-(hydroxymethyl)-3,4,4a,5-tetrahydro-1H-isoquinoline-2-carboxylate
CID 174797569
tert-butyl (2S)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-hydroxypiperidine-1-carboxylate
CID 175629658
tert-butyl 3-[(4E)-hepta-4,6-dienyl]-2-hydroxypiperidine-1-carboxylate
CID 10661564
Tert-butyl 7-(hydroxymethyl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 101913223

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one (CID 91264604) is 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one is C=CC=C(C=C)C(C)N1CCC(CCCO)(C(C)C)OC1=O.
What is the InChIKey of 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is CREQSYGGZDGTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-9-16(7-2)15(5)19-12-11-18(14(3)4,10-8-13-20)22-17(19)21/h6-7,9,14-15,20H,1-2,8,10-13H2,3-5H3.
What are the key properties of 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one?
3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 307.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylhexa-3,5-dien-2-yl)-6-(3-hydroxypropyl)-6-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 91264604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).